ethyl 1-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(2E)-2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=C3C=NC4=CC=CC=C43)O2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/O2

InChI

InChI=1S/C21H24N4O4S/c1-3-28-20(27)14-8-10-25(11-9-14)19(26)13(2)30-21-24-23-18(29-21)16-12-22-17-7-5-4-6-15(16)17/h4-7,12-14,23H,3,8-11H2,1-2H3/b18-16-